methyl 4-chloro-3-methyl-1-pyridin-2-ylpyrazolo[3,4-b]quinoline-6-carboxylate

C18H13ClN4O2 — CID 22320136

IUPACmethyl 4-chloro-3-methyl-1-pyridin-2-ylpyrazolo[3,4-b]quinoline-6-carboxylate
SMILESCOC(=O)c1ccc2nc3c(c(C)nn3-c3ccccn3)c(Cl)c2c1
InChIInChI=1S/C18H13ClN4O2/c1-10-15-16(19)12-9-11(18(24)25-2)6-7-13(12)21-17(15)23(22-10)14-5-3-4-8-20-14/h3-9H,1-2H3
InChIKeyLITGOCSAGXZPBH-UHFFFAOYSA-N
MW352.78 g/mol
LogP3.72
Rot. Bonds2

About methyl 4-chloro-3-methyl-1-pyridin-2-ylpyrazolo[3,4-b]quinoline-6-carboxylate

methyl 4-chloro-3-methyl-1-pyridin-2-ylpyrazolo[3,4-b]quinoline-6-carboxylate (PubChem CID 22320136) has the molecular formula C18H13ClN4O2 and a molecular weight of 352.78 g/mol. Its IUPAC name is methyl 4-chloro-3-methyl-1-pyridin-2-ylpyrazolo[3,4-b]quinoline-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-3-methyl-1-pyridin-2-ylpyrazolo[3,4-b]quinoline-6-carboxylate
PubChem CID22320136
Molecular FormulaC18H13ClN4O2
Molecular Weight352.78 g/mol
Exact Mass352.07
IUPAC Namemethyl 4-chloro-3-methyl-1-pyridin-2-ylpyrazolo[3,4-b]quinoline-6-carboxylate
SMILESCOC(=O)c1ccc2nc3c(c(C)nn3-c3ccccn3)c(Cl)c2c1
InChIInChI=1S/C18H13ClN4O2/c1-10-15-16(19)12-9-11(18(24)25-2)6-7-13(12)21-17(15)23(22-10)14-5-3-4-8-20-14/h3-9H,1-2H3
InChIKeyLITGOCSAGXZPBH-UHFFFAOYSA-N
XLogP3.72
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.78
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-3-methyl-1-pyridin-2-ylpyrazolo[3,4-b]quinoline-6-carboxylate?
The IUPAC name of methyl 4-chloro-3-methyl-1-pyridin-2-ylpyrazolo[3,4-b]quinoline-6-carboxylate (CID 22320136) is methyl 4-chloro-3-methyl-1-pyridin-2-ylpyrazolo[3,4-b]quinoline-6-carboxylate.
What is the SMILES notation for methyl 4-chloro-3-methyl-1-pyridin-2-ylpyrazolo[3,4-b]quinoline-6-carboxylate?
The canonical SMILES for methyl 4-chloro-3-methyl-1-pyridin-2-ylpyrazolo[3,4-b]quinoline-6-carboxylate is COC(=O)c1ccc2nc3c(c(C)nn3-c3ccccn3)c(Cl)c2c1.
What is the InChIKey of methyl 4-chloro-3-methyl-1-pyridin-2-ylpyrazolo[3,4-b]quinoline-6-carboxylate?
The InChIKey is LITGOCSAGXZPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4O2/c1-10-15-16(19)12-9-11(18(24)25-2)6-7-13(12)21-17(15)23(22-10)14-5-3-4-8-20-14/h3-9H,1-2H3.
What are the key properties of methyl 4-chloro-3-methyl-1-pyridin-2-ylpyrazolo[3,4-b]quinoline-6-carboxylate?
methyl 4-chloro-3-methyl-1-pyridin-2-ylpyrazolo[3,4-b]quinoline-6-carboxylate has a molecular weight of 352.78 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-3-methyl-1-pyridin-2-ylpyrazolo[3,4-b]quinoline-6-carboxylate is sourced from PubChem (CID 22320136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).